tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride

C16H26ClN3O2 — CID 154702927

IUPACtert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCC1(c2ccccn2)CCNCC1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-15(2,3)21-14(20)19-12-16(7-10-17-11-8-16)13-6-4-5-9-18-13;/h4-6,9,17H,7-8,10-12H2,1-3H3,(H,19,20);1H
InChIKeyLTIRMQREYIMGEY-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride

tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride (PubChem CID 154702927) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
PubChem CID154702927
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Nametert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCC1(c2ccccn2)CCNCC1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-15(2,3)21-14(20)19-12-16(7-10-17-11-8-16)13-6-4-5-9-18-13;/h4-6,9,17H,7-8,10-12H2,1-3H3,(H,19,20);1H
InChIKeyLTIRMQREYIMGEY-UHFFFAOYSA-N
XLogP2.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 127264024
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CID 163332476
tert-butyl N-[[2-(2-fluorophenyl)azetidin-2-yl]methyl]carbamate
CID 115059181
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
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tert-butyl N-piperidin-4-ylcarbamate;pyridin-2-amine
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tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide
CID 110479887
tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
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[(3R)-3-pyridin-2-ylpyrrolidin-3-yl]methanol
CID 125041634
tert-butyl 3-(methoxycarbonylamino)-3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 22236948
tert-butyl N-(4-amino-2-pyridin-2-ylbutan-2-yl)carbamate
CID 83693743
6-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]hexanamide
CID 110482606

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride (CID 154702927) is tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NCC1(c2ccccn2)CCNCC1.Cl.
What is the InChIKey of tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride?
The InChIKey is LTIRMQREYIMGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-15(2,3)21-14(20)19-12-16(7-10-17-11-8-16)13-6-4-5-9-18-13;/h4-6,9,17H,7-8,10-12H2,1-3H3,(H,19,20);1H.
What are the key properties of tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride?
tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride is sourced from PubChem (CID 154702927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).