1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine

C24H49N5 — CID 123473478

IUPAC1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCC(CCN1CCN(C2CCN(C(C)(C)C)CC2)CC1)N1CCCC(N(C)C)C1
InChIInChI=1S/C24H49N5/c1-21(28-12-7-8-23(20-28)25(5)6)9-13-26-16-18-27(19-17-26)22-10-14-29(15-11-22)24(2,3)4/h21-23H,7-20H2,1-6H3
InChIKeySOLDYQSFMCPFAM-UHFFFAOYSA-N
MW407.69 g/mol
LogP2.67
Rot. Bonds6

About 1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine

1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 123473478) has the molecular formula C24H49N5 and a molecular weight of 407.69 g/mol. Its IUPAC name is 1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID123473478
Molecular FormulaC24H49N5
Molecular Weight407.69 g/mol
Exact Mass407.40
IUPAC Name1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCC(CCN1CCN(C2CCN(C(C)(C)C)CC2)CC1)N1CCCC(N(C)C)C1
InChIInChI=1S/C24H49N5/c1-21(28-12-7-8-23(20-28)25(5)6)9-13-26-16-18-27(19-17-26)22-10-14-29(15-11-22)24(2,3)4/h21-23H,7-20H2,1-6H3
InChIKeySOLDYQSFMCPFAM-UHFFFAOYSA-N
XLogP2.67
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.69
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine with MolForge

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Related Compounds

Piperazine, 1,4-bis(3-piperidinoethyl)-
CID 211252
(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 98741869
2-[2-(4-Fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 90823912
2-[4-(3-Fluoro-1-methylpiperidin-4-yl)-1-methylpiperazin-2-yl]-4-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 170006948
1-Tert-butyl-4-[1-[(1-tert-butylpiperidin-4-yl)methyl]-3,3-difluoropiperidin-4-yl]piperazine
CID 171723137
1-Tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)-3-fluoropiperidin-4-yl]methyl]piperazine
CID 172110218
1-Tert-butyl-4-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)-3-fluoropiperidin-4-yl]methyl]piperazine
CID 172110304
1-Tert-butyl-4-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]piperazine
CID 172110356
1-(1-Tert-butyl-3-fluoropiperidin-4-yl)-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine
CID 172110399
1-[(1-Tert-butyl-4-fluoropiperidin-4-yl)methyl]-4-(1-tert-butylpiperidin-4-yl)piperazine
CID 172110824
1-Ethyl-4-[[1-(3-fluoro-1,1-dimethylpiperidin-1-ium-4-yl)piperidin-4-yl]methyl]piperazine
CID 175622910
1-[[3-Fluoro-1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 175622915

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine (CID 123473478) is 1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine is CC(CCN1CCN(C2CCN(C(C)(C)C)CC2)CC1)N1CCCC(N(C)C)C1.
What is the InChIKey of 1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is SOLDYQSFMCPFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N5/c1-21(28-12-7-8-23(20-28)25(5)6)9-13-26-16-18-27(19-17-26)22-10-14-29(15-11-22)24(2,3)4/h21-23H,7-20H2,1-6H3.
What are the key properties of 1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine?
1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 407.69 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]butan-2-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 123473478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).