tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate

C17H27N3O2 — CID 67417632

IUPACtert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccccc2CN)CC1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-14-8-10-20(11-9-14)15-7-5-4-6-13(15)12-18/h4-7,14H,8-12,18H2,1-3H3,(H,19,21)
InChIKeyYXUUEPDJCOJRDY-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.64
Rot. Bonds3

About tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate (PubChem CID 67417632) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate
PubChem CID67417632
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccccc2CN)CC1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-14-8-10-20(11-9-14)15-7-5-4-6-13(15)12-18/h4-7,14H,8-12,18H2,1-3H3,(H,19,21)
InChIKeyYXUUEPDJCOJRDY-UHFFFAOYSA-N
XLogP2.64
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate
CID 169325609
tert-butyl N-[(3S)-1-[4-(aminomethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 34178229
tert-butyl N-[1-[4-(aminomethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 44607634
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate
CID 133400609
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-(1-sulfanyl-2,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamate
CID 91230280
tert-butyl N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994004
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate
CID 171491758
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate (CID 67417632) is tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccccc2CN)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate?
The InChIKey is YXUUEPDJCOJRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-14-8-10-20(11-9-14)15-7-5-4-6-13(15)12-18/h4-7,14H,8-12,18H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 67417632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).