1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine

C35H70N6 — CID 170018752

IUPAC1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine
SMILESCC(C)N1CCC[C@H](CN2CCN(C(C)(C)CCC(C)(C)N3CCC(CN4CCN(C(C)(C)C)CC4)CC3)CC2)C1
InChIInChI=1S/C35H70N6/c1-30(2)38-16-10-11-32(29-38)28-37-21-25-41(26-22-37)35(8,9)15-14-34(6,7)40-17-12-31(13-18-40)27-36-19-23-39(24-20-36)33(3,4)5/h30-32H,10-29H2,1-9H3/t32-/m1/s1
InChIKeyGEWIVUJMNBPRAT-JGCGQSQUSA-N
MW574.99 g/mol
LogP5.19
Rot. Bonds10

About 1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine

1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine (PubChem CID 170018752) has the molecular formula C35H70N6 and a molecular weight of 574.99 g/mol. Its IUPAC name is 1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine
PubChem CID170018752
Molecular FormulaC35H70N6
Molecular Weight574.99 g/mol
Exact Mass574.57
IUPAC Name1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine
SMILESCC(C)N1CCC[C@H](CN2CCN(C(C)(C)CCC(C)(C)N3CCC(CN4CCN(C(C)(C)C)CC4)CC3)CC2)C1
InChIInChI=1S/C35H70N6/c1-30(2)38-16-10-11-32(29-38)28-37-21-25-41(26-22-37)35(8,9)15-14-34(6,7)40-17-12-31(13-18-40)27-36-19-23-39(24-20-36)33(3,4)5/h30-32H,10-29H2,1-9H3/t32-/m1/s1
InChIKeyGEWIVUJMNBPRAT-JGCGQSQUSA-N
XLogP5.19
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.99
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
CID 156551482
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929
(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 156551481
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
1-tert-butyl-4-[1-[(1-propan-2-ylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 172511550
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 61430663
1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine
CID 138623766

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine (CID 170018752) is 1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine is CC(C)N1CCC[C@H](CN2CCN(C(C)(C)CCC(C)(C)N3CCC(CN4CCN(C(C)(C)C)CC4)CC3)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine?
The InChIKey is GEWIVUJMNBPRAT-JGCGQSQUSA-N. The full InChI is InChI=1S/C35H70N6/c1-30(2)38-16-10-11-32(29-38)28-37-21-25-41(26-22-37)35(8,9)15-14-34(6,7)40-17-12-31(13-18-40)27-36-19-23-39(24-20-36)33(3,4)5/h30-32H,10-29H2,1-9H3/t32-/m1/s1.
What are the key properties of 1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine?
1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine has a molecular weight of 574.99 g/mol, XLogP of 5.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 170018752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).