(3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine

C16H32N2O — CID 39733025

IUPAC(3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine
SMILESCCN1CCC[C@@H](N2CCC[C@@H](CCCOC)C2)C1
InChIInChI=1S/C16H32N2O/c1-3-17-10-5-9-16(14-17)18-11-4-7-15(13-18)8-6-12-19-2/h15-16H,3-14H2,1-2H3/t15-,16+/m0/s1
InChIKeyNPFJQSFDXRVZQX-JKSUJKDBSA-N
MW268.44 g/mol
LogP2.61
Rot. Bonds6

About (3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine

(3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine (PubChem CID 39733025) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine.

Molecular Properties

Compound Name(3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine
PubChem CID39733025
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine
SMILESCCN1CCC[C@@H](N2CCC[C@@H](CCCOC)C2)C1
InChIInChI=1S/C16H32N2O/c1-3-17-10-5-9-16(14-17)18-11-4-7-15(13-18)8-6-12-19-2/h15-16H,3-14H2,1-2H3/t15-,16+/m0/s1
InChIKeyNPFJQSFDXRVZQX-JKSUJKDBSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-ethyl-3-(2-methoxyethyl)piperidine
CID 173019182
1-(1-ethylpiperidin-3-yl)pyrrolidin-3-amine
CID 61479919
2-(4-methoxybutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115277631
(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
CID 39801895
2-(5-methoxypentyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 114129851
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 79936511
(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine
CID 173019176
1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane
CID 64942661
2-[2-(2-methoxyethoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79885800
1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine
CID 174064097
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine
CID 117126823

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine?
The IUPAC name of (3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine (CID 39733025) is (3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine.
What is the SMILES notation for (3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine?
The canonical SMILES for (3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine is CCN1CCC[C@@H](N2CCC[C@@H](CCCOC)C2)C1.
What is the InChIKey of (3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine?
The InChIKey is NPFJQSFDXRVZQX-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-17-10-5-9-16(14-17)18-11-4-7-15(13-18)8-6-12-19-2/h15-16H,3-14H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine?
(3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine has a molecular weight of 268.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine is sourced from PubChem (CID 39733025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).