N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine

C19H30N2 — CID 115307030

IUPACN-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine
SMILESCCC(Cc1ccccc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H30N2/c1-2-19(14-16-6-4-3-5-7-16)21-12-10-18(11-13-21)20-15-17-8-9-17/h3-7,17-20H,2,8-15H2,1H3
InChIKeyBJTBISYLNDVNDV-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.47
Rot. Bonds7

About N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine

N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine (PubChem CID 115307030) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine
PubChem CID115307030
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine
SMILESCCC(Cc1ccccc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H30N2/c1-2-19(14-16-6-4-3-5-7-16)21-12-10-18(11-13-21)20-15-17-8-9-17/h3-7,17-20H,2,8-15H2,1H3
InChIKeyBJTBISYLNDVNDV-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine
CID 115306893
4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol
CID 115496143
N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 114832472
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
N-(2-benzylbutyl)-1-methylpiperidin-4-amine
CID 50954737
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119926842
4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 79008198
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
2-(3-ethylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 113417146
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79007602
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119624478
N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 63848083

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine (CID 115307030) is N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine is CCC(Cc1ccccc1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine?
The InChIKey is BJTBISYLNDVNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-19(14-16-6-4-3-5-7-16)21-12-10-18(11-13-21)20-15-17-8-9-17/h3-7,17-20H,2,8-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine?
N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine has a molecular weight of 286.46 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(1-phenylbutan-2-yl)piperidin-4-amine is sourced from PubChem (CID 115307030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).