methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate

C17H26N2O2 — CID 60992679

IUPACmethyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(NCc2ccccc2)(C(=O)OC)CC1
InChIInChI=1S/C17H26N2O2/c1-3-11-19-12-9-17(10-13-19,16(20)21-2)18-14-15-7-5-4-6-8-15/h4-8,18H,3,9-14H2,1-2H3
InChIKeyDETYBSRXECMUQG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds6

About methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate

methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate (PubChem CID 60992679) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
PubChem CID60992679
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namemethyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
SMILESCCCN1CCC(NCc2ccccc2)(C(=O)OC)CC1
InChIInChI=1S/C17H26N2O2/c1-3-11-19-12-9-17(10-13-19,16(20)21-2)18-14-15-7-5-4-6-8-15/h4-8,18H,3,9-14H2,1-2H3
InChIKeyDETYBSRXECMUQG-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate
CID 60787071
methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
CID 54894020
ethyl 4-(benzylamino)-1-methylazepane-4-carboxylate
CID 65074800
methyl 4-[(4-bromophenyl)methylamino]-1-phenylpiperidine-4-carboxylate
CID 138707390
methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
CID 88579615
CID 88579615
methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
CID 64513799
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
4-(aminomethyl)-N-benzyl-1-propylazepan-4-amine
CID 65384423
methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate
CID 110009645

Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate (CID 60992679) is methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate is CCCN1CCC(NCc2ccccc2)(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate?
The InChIKey is DETYBSRXECMUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-11-19-12-9-17(10-13-19,16(20)21-2)18-14-15-7-5-4-6-8-15/h4-8,18H,3,9-14H2,1-2H3.
What are the key properties of methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate?
methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate is sourced from PubChem (CID 60992679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).