1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine

C33H67N5 — CID 167695333

IUPAC1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
SMILESCC(C)C1CCN(CC2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2.C16H33N3/c1-14(2)17-7-9-18(10-8-17)13-16-5-11-19(12-6-16)15(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4/h14-17H,5-13H2,1-4H3;14-16H,5-13H2,1-4H3
InChIKeyXOKXXENWCUNYRF-UHFFFAOYSA-N
MW533.93 g/mol
LogP5.61
Rot. Bonds8

About 1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine

1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine (PubChem CID 167695333) has the molecular formula C33H67N5 and a molecular weight of 533.93 g/mol. Its IUPAC name is 1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
PubChem CID167695333
Molecular FormulaC33H67N5
Molecular Weight533.93 g/mol
Exact Mass533.54
IUPAC Name1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
SMILESCC(C)C1CCN(CC2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2.C16H33N3/c1-14(2)17-7-9-18(10-8-17)13-16-5-11-19(12-6-16)15(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4/h14-17H,5-13H2,1-4H3;14-16H,5-13H2,1-4H3
InChIKeyXOKXXENWCUNYRF-UHFFFAOYSA-N
XLogP5.61
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.93
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
1,4-di(propan-2-yl)piperidine
CID 21303253
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of 1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine (CID 167695333) is 1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine is CC(C)C1CCN(CC2CCN(C(C)C)CC2)CC1.CC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The InChIKey is XOKXXENWCUNYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2.C16H33N3/c1-14(2)17-7-9-18(10-8-17)13-16-5-11-19(12-6-16)15(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4/h14-17H,5-13H2,1-4H3;14-16H,5-13H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine has a molecular weight of 533.93 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 167695333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).