(4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate

C19H21ClN2O2 — CID 67239516

IUPAC(4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-17-7-3-14(4-8-17)13-24-19(23)22-18-9-5-15(6-10-18)16-2-1-11-21-12-16/h3-10,16,21H,1-2,11-13H2,(H,22,23)/t16-/m1/s1
InChIKeyIHUGQUDZYWZFAG-MRXNPFEDSA-N
MW344.84 g/mol
LogP4.56
Rot. Bonds4

About (4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate

(4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate (PubChem CID 67239516) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate
PubChem CID67239516
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-17-7-3-14(4-8-17)13-24-19(23)22-18-9-5-15(6-10-18)16-2-1-11-21-12-16/h3-10,16,21H,1-2,11-13H2,(H,22,23)/t16-/m1/s1
InChIKeyIHUGQUDZYWZFAG-MRXNPFEDSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate (CID 67239516) is (4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate is O=C(Nc1ccc([C@@H]2CCCNC2)cc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate?
The InChIKey is IHUGQUDZYWZFAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-7-3-14(4-8-17)13-24-19(23)22-18-9-5-15(6-10-18)16-2-1-11-21-12-16/h3-10,16,21H,1-2,11-13H2,(H,22,23)/t16-/m1/s1.
What are the key properties of (4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate?
(4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate has a molecular weight of 344.84 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[4-[(3S)-piperidin-3-yl]phenyl]carbamate is sourced from PubChem (CID 67239516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).