N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine

C18H28N2O — CID 30982606

IUPACN-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESc1ccc(CCN2CCC(NC[C@H]3CCCO3)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-5-16(6-3-1)8-11-20-12-9-17(10-13-20)19-15-18-7-4-14-21-18/h1-3,5-6,17-19H,4,7-15H2/t18-/m1/s1
InChIKeyJNCIELPSCYYYMG-GOSISDBHSA-N
MW288.43 g/mol
LogP2.46
Rot. Bonds6

About N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine

N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 30982606) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine
PubChem CID30982606
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESc1ccc(CCN2CCC(NC[C@H]3CCCO3)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-5-16(6-3-1)8-11-20-12-9-17(10-13-20)19-15-18-7-4-14-21-18/h1-3,5-6,17-19H,4,7-15H2/t18-/m1/s1
InChIKeyJNCIELPSCYYYMG-GOSISDBHSA-N
XLogP2.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
CID 742865
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-[[(2S)-oxolan-2-yl]methyl]-3-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 95320670
1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine
CID 107165898
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine
CID 103992937
1-ethyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 60694440

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine (CID 30982606) is N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine is c1ccc(CCN2CCC(NC[C@H]3CCCO3)CC2)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is JNCIELPSCYYYMG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-5-16(6-3-1)8-11-20-12-9-17(10-13-20)19-15-18-7-4-14-21-18/h1-3,5-6,17-19H,4,7-15H2/t18-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine?
N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 288.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 30982606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).