1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine

C15H30N2 — CID 171094387

IUPAC1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
SMILESCCN1CCC(CC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C15H30N2/c1-4-16-8-5-14(6-9-16)11-15-7-10-17(12-15)13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyBPZIWOXQFPFUNZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.84
Rot. Bonds4

About 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine

1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 171094387) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
PubChem CID171094387
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
SMILESCCN1CCC(CC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C15H30N2/c1-4-16-8-5-14(6-9-16)11-15-7-10-17(12-15)13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyBPZIWOXQFPFUNZ-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
CID 177228245
8-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 166461736
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 131926271
1-ethyl-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 28716489
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 86262794
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine (CID 171094387) is 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine is CCN1CCC(CC2CCN(C(C)C)C2)CC1.
What is the InChIKey of 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is BPZIWOXQFPFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-16-8-5-14(6-9-16)11-15-7-10-17(12-15)13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine?
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 238.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 171094387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).