N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine

C18H28N2O — CID 103904738

IUPACN-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine
SMILESCC1(C)CC(NC2CCN(c3ccccc3)CC2)CCO1
InChIInChI=1S/C18H28N2O/c1-18(2)14-16(10-13-21-18)19-15-8-11-20(12-9-15)17-6-4-3-5-7-17/h3-7,15-16,19H,8-14H2,1-2H3
InChIKeyWEHOUODTFOBHKF-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.20
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine

N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine (PubChem CID 103904738) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine
PubChem CID103904738
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine
SMILESCC1(C)CC(NC2CCN(c3ccccc3)CC2)CCO1
InChIInChI=1S/C18H28N2O/c1-18(2)14-16(10-13-21-18)19-15-8-11-20(12-9-15)17-6-4-3-5-7-17/h3-7,15-16,19H,8-14H2,1-2H3
InChIKeyWEHOUODTFOBHKF-UHFFFAOYSA-N
XLogP3.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[(2,2-dimethyloxan-4-yl)amino]piperidin-1-yl]phenyl]-5-methylpyrrolidin-2-one
CID 46988870
N-(2,2-dimethyloxan-4-yl)-1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-amine
CID 47000556
2-cyclopentyl-N-[3-[4-[[(4S)-2,2-dimethyloxan-4-yl]amino]piperidin-1-yl]phenyl]acetamide
CID 26404894
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830
4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 102672687
(4R)-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(4,7-dimethylquinazolin-2-yl)azepan-4-amine
CID 124756093
N-(2,2-dimethyloxan-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 83033630
(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 83033541
2,2-dimethyl-4-phenylmorpholine
CID 15576765
N-(2,6-dimethyloxan-4-yl)-2,2-dimethyloxan-4-amine
CID 83033712
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine (CID 103904738) is N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine is CC1(C)CC(NC2CCN(c3ccccc3)CC2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine?
The InChIKey is WEHOUODTFOBHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2)14-16(10-13-21-18)19-15-8-11-20(12-9-15)17-6-4-3-5-7-17/h3-7,15-16,19H,8-14H2,1-2H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine?
N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine has a molecular weight of 288.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103904738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).