benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate

C16H24N2O3 — CID 71649005

IUPACbenzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate
SMILESNC(CCO)C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H24N2O3/c17-15(8-10-19)14-7-4-9-18(11-14)16(20)21-12-13-5-2-1-3-6-13/h1-3,5-6,14-15,19H,4,7-12,17H2
InChIKeyHMQZLRKDQYWCSG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.74
Rot. Bonds5

About benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate

benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate (PubChem CID 71649005) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate
PubChem CID71649005
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namebenzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate
SMILESNC(CCO)C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H24N2O3/c17-15(8-10-19)14-7-4-9-18(11-14)16(20)21-12-13-5-2-1-3-6-13/h1-3,5-6,14-15,19H,4,7-12,17H2
InChIKeyHMQZLRKDQYWCSG-UHFFFAOYSA-N
XLogP1.74
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-(1-chloro-2-oxoethyl)piperidine-1-carboxylate
CID 88542626
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl (1R,7S)-8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 89171157
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
(1-phenylmethoxycarbonylpiperidin-3-yl)-piperidin-1-ylmethanesulfinate
CID 174571620
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl 3-nitropiperidine-1-carboxylate
CID 91667105
benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97169782
benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
CID 19077314

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate (CID 71649005) is benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate is NC(CCO)C1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate?
The InChIKey is HMQZLRKDQYWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c17-15(8-10-19)14-7-4-9-18(11-14)16(20)21-12-13-5-2-1-3-6-13/h1-3,5-6,14-15,19H,4,7-12,17H2.
What are the key properties of benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate?
benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate is sourced from PubChem (CID 71649005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).