1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine

C21H41N3 — CID 171598401

IUPAC1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
SMILESCC(C)CN1CCC(CN2CCN(C3CC(C(C)C)C3)CC2)CC1
InChIInChI=1S/C21H41N3/c1-17(2)15-22-7-5-19(6-8-22)16-23-9-11-24(12-10-23)21-13-20(14-21)18(3)4/h17-21H,5-16H2,1-4H3
InChIKeyYRQANDSNZKVUTC-UHFFFAOYSA-N
MW335.58 g/mol
LogP3.41
Rot. Bonds6

About 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine

1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine (PubChem CID 171598401) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
PubChem CID171598401
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
SMILESCC(C)CN1CCC(CN2CCN(C3CC(C(C)C)C3)CC2)CC1
InChIInChI=1S/C21H41N3/c1-17(2)15-22-7-5-19(6-8-22)16-23-9-11-24(12-10-23)21-13-20(14-21)18(3)4/h17-21H,5-16H2,1-4H3
InChIKeyYRQANDSNZKVUTC-UHFFFAOYSA-N
XLogP3.41
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 170953584
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
1-(2-methylpropyl)-4-[4-(2-methylpropyl)piperidin-1-yl]piperidine
CID 177321679
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
CID 165456465
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
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
1-[1-(4-ethylpiperidin-1-yl)propan-2-yliodanuidyl]-4-[[1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
CID 156885221
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine?
The IUPAC name of 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine (CID 171598401) is 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine.
What is the SMILES notation for 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine?
The canonical SMILES for 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine is CC(C)CN1CCC(CN2CCN(C3CC(C(C)C)C3)CC2)CC1.
What is the InChIKey of 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine?
The InChIKey is YRQANDSNZKVUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-17(2)15-22-7-5-19(6-8-22)16-23-9-11-24(12-10-23)21-13-20(14-21)18(3)4/h17-21H,5-16H2,1-4H3.
What are the key properties of 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine?
1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine has a molecular weight of 335.58 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine is sourced from PubChem (CID 171598401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).