(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate

C17H24N2O2 — CID 175201473

IUPAC(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate
SMILESNC(=O)OCC1(C2CC2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c18-16(20)21-13-17(15-6-7-15)8-10-19(11-9-17)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H2,18,20)
InChIKeyFMKCEMRCDISHRZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.77
Rot. Bonds5

About (1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate

(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate (PubChem CID 175201473) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate.

Molecular Properties

Compound Name(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate
PubChem CID175201473
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate
SMILESNC(=O)OCC1(C2CC2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c18-16(20)21-13-17(15-6-7-15)8-10-19(11-9-17)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H2,18,20)
InChIKeyFMKCEMRCDISHRZ-UHFFFAOYSA-N
XLogP2.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
CID 83825709
1-benzyl-4-ethenylpiperidine-4-carboxamide
CID 23109456
ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
CID 177342640
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
4-amino-1-benzylpiperidine-4-carbohydrazide
CID 21495768
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
4-(1-benzylpiperidin-4-yl)-4-iodocyclohexa-2,5-diene-1-carboxamide
CID 67553986
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate?
The IUPAC name of (1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate (CID 175201473) is (1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate.
What is the SMILES notation for (1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate?
The canonical SMILES for (1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate is NC(=O)OCC1(C2CC2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate?
The InChIKey is FMKCEMRCDISHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-16(20)21-13-17(15-6-7-15)8-10-19(11-9-17)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H2,18,20).
What are the key properties of (1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate?
(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate has a molecular weight of 288.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate is sourced from PubChem (CID 175201473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).