4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine

C23H44N4 — CID 134565670

IUPAC4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine
SMILESC1CCN(CCC2CCN(C3CCN(CC4CCNCC4)CC3)CC2)CC1
InChIInChI=1S/C23H44N4/c1-2-13-25(14-3-1)15-6-21-7-18-27(19-8-21)23-9-16-26(17-10-23)20-22-4-11-24-12-5-22/h21-24H,1-20H2
InChIKeyPNSMIGRDNIKMDL-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.04
Rot. Bonds6

About 4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine

4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine (PubChem CID 134565670) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine
PubChem CID134565670
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine
SMILESC1CCN(CCC2CCN(C3CCN(CC4CCNCC4)CC3)CC2)CC1
InChIInChI=1S/C23H44N4/c1-2-13-25(14-3-1)15-6-21-7-18-27(19-8-21)23-9-16-26(17-10-23)20-22-4-11-24-12-5-22/h21-24H,1-20H2
InChIKeyPNSMIGRDNIKMDL-UHFFFAOYSA-N
XLogP3.04
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine with MolForge

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Related Compounds

5-Fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 123442953
Lithium;butane;3,7-di(propan-2-yl)-3,7-diazoniabicyclo[3.3.1]nonane
CID 176423080
2,4,6-Tri(piperidin-4-yl)-1,3,5-triazinane
CID 5246414
2-(1-Piperidylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 19108416
1-Azabicyclo[2.2.2]octane;piperidine
CID 20360382
4-Piperidin-1-yl-4-[3-(4-piperidin-1-ylpiperidin-4-yl)propyl]piperidine
CID 20574719
N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21997325
3-(Piperazin-1-yl)-1-azabicyclo[2.2.2]octane
CID 22120228
2-Piperazin-2-yl-1-azabicyclo[2.2.2]octane
CID 22721248
4-Methyl-1-(1-piperidin-4-ylpiperidin-4-yl)piperidine
CID 22964508
1,2-Di(piperidin-4-yl)piperazine
CID 23113041
(3S)-3-(1-piperazinyl)-1-azabicyclo[2.2.2]octane
CID 51629929

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine?
The IUPAC name of 4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine (CID 134565670) is 4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine.
What is the SMILES notation for 4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine?
The canonical SMILES for 4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine is C1CCN(CCC2CCN(C3CCN(CC4CCNCC4)CC3)CC2)CC1.
What is the InChIKey of 4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine?
The InChIKey is PNSMIGRDNIKMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4/c1-2-13-25(14-3-1)15-6-21-7-18-27(19-8-21)23-9-16-26(17-10-23)20-22-4-11-24-12-5-22/h21-24H,1-20H2.
What are the key properties of 4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine?
4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine has a molecular weight of 376.63 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethyl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]piperidine is sourced from PubChem (CID 134565670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).