tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate

C18H29N3O2 — CID 107239512

IUPACtert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNCC2CCCCN2)cc1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-15-9-7-14(8-10-15)12-19-13-16-6-4-5-11-20-16/h7-10,16,19-20H,4-6,11-13H2,1-3H3,(H,21,22)
InChIKeyYVQMYBNRFNGJMQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.27
Rot. Bonds5

About tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate

tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate (PubChem CID 107239512) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate
PubChem CID107239512
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNCC2CCCCN2)cc1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-15-9-7-14(8-10-15)12-19-13-16-6-4-5-11-20-16/h7-10,16,19-20H,4-6,11-13H2,1-3H3,(H,21,22)
InChIKeyYVQMYBNRFNGJMQ-UHFFFAOYSA-N
XLogP3.27
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
CID 107239571
tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611
tert-butyl N-[4-[(2S)-pyrrolidin-2-yl]phenyl]carbamate
CID 130779938
tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
CID 118957337
tert-butyl N-[4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]phenyl]carbamate
CID 107239514
tert-butyl N-[4-[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]carbamate
CID 107239519
tert-butyl N-[2-(piperidin-2-ylmethylamino)propyl]carbamate
CID 107248267
piperidin-2-ylmethyl N-(4-methylphenyl)carbamate
CID 79337808
tert-butyl N-[4-[(thiophen-3-ylmethylamino)methyl]phenyl]carbamate
CID 107239520
tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate
CID 107244141
tert-butyl N-[4-[(trifluoromethylamino)methyl]phenyl]carbamate
CID 174812466
ethyl (2R,3S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate;ethyl (2S,3R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate
CID 154809531

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate (CID 107239512) is tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CNCC2CCCCN2)cc1.
What is the InChIKey of tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate?
The InChIKey is YVQMYBNRFNGJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-15-9-7-14(8-10-15)12-19-13-16-6-4-5-11-20-16/h7-10,16,19-20H,4-6,11-13H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate?
tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate is sourced from PubChem (CID 107239512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).