[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol

C13H19ClN2O — CID 88585225

IUPAC[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1ccc(CNCl)cc1
InChIInChI=1S/C13H19ClN2O/c14-15-9-11-4-6-12(7-5-11)16-8-2-1-3-13(16)10-17/h4-7,13,15,17H,1-3,8-10H2
InChIKeyGNHXLKYCXWIGJA-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.28
Rot. Bonds4

About [1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol

[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol (PubChem CID 88585225) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol
PubChem CID88585225
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1ccc(CNCl)cc1
InChIInChI=1S/C13H19ClN2O/c14-15-9-11-4-6-12(7-5-11)16-8-2-1-3-13(16)10-17/h4-7,13,15,17H,1-3,8-10H2
InChIKeyGNHXLKYCXWIGJA-UHFFFAOYSA-N
XLogP2.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol (CID 88585225) is [1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol is OCC1CCCCN1c1ccc(CNCl)cc1.
What is the InChIKey of [1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol?
The InChIKey is GNHXLKYCXWIGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-15-9-11-4-6-12(7-5-11)16-8-2-1-3-13(16)10-17/h4-7,13,15,17H,1-3,8-10H2.
What are the key properties of [1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol?
[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol has a molecular weight of 254.76 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol is sourced from PubChem (CID 88585225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).