(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine

C17H33N3 — CID 39801895

IUPAC(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
SMILESCCN1CCC[C@@H](N2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C17H33N3/c1-2-18-10-6-7-17(15-18)20-13-8-16(9-14-20)19-11-4-3-5-12-19/h16-17H,2-15H2,1H3/t17-/m1/s1
InChIKeyLXCBKAKAZBTIGK-QGZVFWFLSA-N
MW279.47 g/mol
LogP2.42
Rot. Bonds3

About (3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine

(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine (PubChem CID 39801895) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is (3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
PubChem CID39801895
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
SMILESCCN1CCC[C@@H](N2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C17H33N3/c1-2-18-10-6-7-17(15-18)20-13-8-16(9-14-20)19-11-4-3-5-12-19/h16-17H,2-15H2,1H3/t17-/m1/s1
InChIKeyLXCBKAKAZBTIGK-QGZVFWFLSA-N
XLogP2.42
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55031716
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1-(1-ethylpiperidin-3-yl)pyrrolidin-3-amine
CID 61479919
1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine
CID 174064097
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane
CID 64942661
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N,N-diethylacetamide
CID 95616410
(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine
CID 99856888
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine?
The IUPAC name of (3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine (CID 39801895) is (3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine.
What is the SMILES notation for (3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine?
The canonical SMILES for (3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine is CCN1CCC[C@@H](N2CCC(N3CCCCC3)CC2)C1.
What is the InChIKey of (3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine?
The InChIKey is LXCBKAKAZBTIGK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-18-10-6-7-17(15-18)20-13-8-16(9-14-20)19-11-4-3-5-12-19/h16-17H,2-15H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine?
(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine has a molecular weight of 279.47 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine is sourced from PubChem (CID 39801895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).