benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate

C19H28N2O3 — CID 96552079

IUPACbenzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@@H](CN(CCO)C2CC2)C1
InChIInChI=1S/C19H28N2O3/c22-12-11-20(18-8-9-18)13-17-7-4-10-21(14-17)19(23)24-15-16-5-2-1-3-6-16/h1-3,5-6,17-18,22H,4,7-15H2/t17-/m0/s1
InChIKeyBPQJTIPCXNFZPS-KRWDZBQOSA-N
MW332.44 g/mol
LogP2.49
Rot. Bonds7

About benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate

benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 96552079) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
PubChem CID96552079
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namebenzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@@H](CN(CCO)C2CC2)C1
InChIInChI=1S/C19H28N2O3/c22-12-11-20(18-8-9-18)13-17-7-4-10-21(14-17)19(23)24-15-16-5-2-1-3-6-16/h1-3,5-6,17-18,22H,4,7-15H2/t17-/m0/s1
InChIKeyBPQJTIPCXNFZPS-KRWDZBQOSA-N
XLogP2.49
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3S)-3-[[2-aminoethyl(cyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 96552357
benzyl 3-[[2-aminoethyl(cyclopropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564376
benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 66564306
benzyl (2S)-2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564329
benzyl 3-[[2-aminoethyl(methyl)amino]methyl]piperidine-1-carboxylate
CID 66564337
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
2-[methyl-[(3S)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]acetic acid
CID 66563953
benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate
CID 66564317
benzyl 3-[[(2-chloroacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564725
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
CID 96552834
benzyl (3S)-3-(acetyloxymethyl)piperidine-1-carboxylate
CID 10589659
(1-phenylmethoxycarbonylpiperidin-3-yl)methanesulfonic acid
CID 54551842

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate (CID 96552079) is benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC[C@@H](CN(CCO)C2CC2)C1.
What is the InChIKey of benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is BPQJTIPCXNFZPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-12-11-20(18-8-9-18)13-17-7-4-10-21(14-17)19(23)24-15-16-5-2-1-3-6-16/h1-3,5-6,17-18,22H,4,7-15H2/t17-/m0/s1.
What are the key properties of benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 96552079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).