methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate

C16H24N2O2 — CID 106820599

IUPACmethyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-13(2)17-16(15(19)20-3)9-11-18(12-10-16)14-7-5-4-6-8-14/h4-8,13,17H,9-12H2,1-3H3
InChIKeyLOLRHHFACXJTHK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.20
Rot. Bonds4

About methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate

methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate (PubChem CID 106820599) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate
PubChem CID106820599
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(C)C)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-13(2)17-16(15(19)20-3)9-11-18(12-10-16)14-7-5-4-6-8-14/h4-8,13,17H,9-12H2,1-3H3
InChIKeyLOLRHHFACXJTHK-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-phenyl-4-(prop-2-ynylamino)piperidine-4-carboxylate
CID 106820622
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
CID 91798655
4-(methoxycarbonylamino)-1-phenylpiperidine-4-carboxylic acid
CID 167851958
methyl 4-[(4-bromophenyl)methylamino]-1-phenylpiperidine-4-carboxylate
CID 138707390
methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 62389126
1-phenyl-4-propan-2-ylpiperidin-4-ol
CID 106820875
4-methoxy-1-phenylpiperidine-4-carboxylic acid
CID 106821204
methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 87012984
methyl 4-(propan-2-ylamino)thiane-4-carboxylate
CID 61317383
methyl 1-[4-(chloromethyl)phenyl]cyclopropane-1-carboxylate;methyl 1-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxylate
CID 159219102
4-[(3,3-difluorocyclobutanecarbonyl)amino]-1-phenylpiperidine-4-carboxylic acid
CID 166317742
dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate
CID 101274504

Frequently Asked Questions

What is the IUPAC name of methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate (CID 106820599) is methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate is COC(=O)C1(NC(C)C)CCN(c2ccccc2)CC1.
What is the InChIKey of methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The InChIKey is LOLRHHFACXJTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)17-16(15(19)20-3)9-11-18(12-10-16)14-7-5-4-6-8-14/h4-8,13,17H,9-12H2,1-3H3.
What are the key properties of methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate is sourced from PubChem (CID 106820599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).