1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride

C15H29ClN2 — CID 120835043

IUPAC1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride
SMILESCC1(CN2CCC(C3CCCN3)CC2)CCC1.Cl
InChIInChI=1S/C15H28N2.ClH/c1-15(7-3-8-15)12-17-10-5-13(6-11-17)14-4-2-9-16-14;/h13-14,16H,2-12H2,1H3;1H
InChIKeyYHUXWAFNSOHVKI-UHFFFAOYSA-N
MW272.86 g/mol
LogP3.06
Rot. Bonds3

About 1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride

1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride (PubChem CID 120835043) has the molecular formula C15H29ClN2 and a molecular weight of 272.86 g/mol. Its IUPAC name is 1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride
PubChem CID120835043
Molecular FormulaC15H29ClN2
Molecular Weight272.86 g/mol
Exact Mass272.20
IUPAC Name1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride
SMILESCC1(CN2CCC(C3CCCN3)CC2)CCC1.Cl
InChIInChI=1S/C15H28N2.ClH/c1-15(7-3-8-15)12-17-10-5-13(6-11-17)14-4-2-9-16-14;/h13-14,16H,2-12H2,1H3;1H
InChIKeyYHUXWAFNSOHVKI-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.86
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 63259095
1-pentyl-4-pyrrolidin-2-ylpiperidine
CID 63255578
1-decyl-4-pyrrolidin-2-ylpiperidine
CID 63404665
1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714170
1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine
CID 63259701
7,7-dimethyl-1,2,3,4,4a,5,6,8,9,9a-decahydrocyclohepta[b]pyridine
CID 143671086
(1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999346
5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 130174300
(2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine
CID 128922173
1-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 65213918
(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 118759759
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The IUPAC name of 1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride (CID 120835043) is 1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride.
What is the SMILES notation for 1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The canonical SMILES for 1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride is CC1(CN2CCC(C3CCCN3)CC2)CCC1.Cl.
What is the InChIKey of 1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The InChIKey is YHUXWAFNSOHVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2.ClH/c1-15(7-3-8-15)12-17-10-5-13(6-11-17)14-4-2-9-16-14;/h13-14,16H,2-12H2,1H3;1H.
What are the key properties of 1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride?
1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride has a molecular weight of 272.86 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride is sourced from PubChem (CID 120835043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).