[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid

C14H19ClN2O2 — CID 68705528

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O2/c15-13-3-1-12(2-4-13)10-17-7-5-11(6-8-17)9-16-14(18)19/h1-4,11,16H,5-10H2,(H,18,19)
InChIKeyMYFRMLTWJJXHMP-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.82
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid

[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid (PubChem CID 68705528) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid
PubChem CID68705528
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O2/c15-13-3-1-12(2-4-13)10-17-7-5-11(6-8-17)9-16-14(18)19/h1-4,11,16H,5-10H2,(H,18,19)
InChIKeyMYFRMLTWJJXHMP-UHFFFAOYSA-N
XLogP2.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid (CID 68705528) is [1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid is O=C(O)NCC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid?
The InChIKey is MYFRMLTWJJXHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-3-1-12(2-4-13)10-17-7-5-11(6-8-17)9-16-14(18)19/h1-4,11,16H,5-10H2,(H,18,19).
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid?
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid has a molecular weight of 282.77 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 68705528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).