benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate

C19H28N2O3 — CID 97169782

IUPACbenzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC([C@H](CCO)NC2CC2)CC1
InChIInChI=1S/C19H28N2O3/c22-13-10-18(20-17-6-7-17)16-8-11-21(12-9-16)19(23)24-14-15-4-2-1-3-5-15/h1-5,16-18,20,22H,6-14H2/t18-/m0/s1
InChIKeySHIILRSPUSYKRT-SFHVURJKSA-N
MW332.44 g/mol
LogP2.54
Rot. Bonds7

About benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate

benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate (PubChem CID 97169782) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate
PubChem CID97169782
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namebenzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC([C@H](CCO)NC2CC2)CC1
InChIInChI=1S/C19H28N2O3/c22-13-10-18(20-17-6-7-17)16-8-11-21(12-9-16)19(23)24-14-15-4-2-1-3-5-15/h1-5,16-18,20,22H,6-14H2/t18-/m0/s1
InChIKeySHIILRSPUSYKRT-SFHVURJKSA-N
XLogP2.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97177469
benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate
CID 70855943
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 3-(1-amino-3-hydroxypropyl)piperidine-1-carboxylate
CID 71649005
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-(2,2-difluoro-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 167720294

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate (CID 97169782) is benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC([C@H](CCO)NC2CC2)CC1.
What is the InChIKey of benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
The InChIKey is SHIILRSPUSYKRT-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-13-10-18(20-17-6-7-17)16-8-11-21(12-9-16)19(23)24-14-15-4-2-1-3-5-15/h1-5,16-18,20,22H,6-14H2/t18-/m0/s1.
What are the key properties of benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate?
benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 97169782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).