N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine

C19H29ClN2O — CID 86779499

IUPACN-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCCC(NC1CCN(CC2CCOC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H29ClN2O/c1-2-19(16-3-5-17(20)6-4-16)21-18-7-10-22(11-8-18)13-15-9-12-23-14-15/h3-6,15,18-19,21H,2,7-14H2,1H3
InChIKeyIHLXVUHEUKUVGG-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.88
Rot. Bonds6

About N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine

N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine (PubChem CID 86779499) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine
PubChem CID86779499
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCCC(NC1CCN(CC2CCOC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H29ClN2O/c1-2-19(16-3-5-17(20)6-4-16)21-18-7-10-22(11-8-18)13-15-9-12-23-14-15/h3-6,15,18-19,21H,2,7-14H2,1H3
InChIKeyIHLXVUHEUKUVGG-UHFFFAOYSA-N
XLogP3.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 63431802
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824763
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824765
N-[1-(4-chlorophenyl)propyl]-1-ethylpiperidin-3-amine
CID 61171924
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 97232289
N-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 97322617
1-ethyl-N-[1-(4-fluorophenyl)propyl]piperidin-4-amine
CID 54917034
N-[1-(4-methoxyphenyl)propyl]-1-propylpiperidin-4-amine
CID 43183002
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine (CID 86779499) is N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine is CCC(NC1CCN(CC2CCOC2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is IHLXVUHEUKUVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O/c1-2-19(16-3-5-17(20)6-4-16)21-18-7-10-22(11-8-18)13-15-9-12-23-14-15/h3-6,15,18-19,21H,2,7-14H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine?
N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 336.91 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-1-(oxolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 86779499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).