[4-(4-bromoanilino)piperidin-4-yl]methanol

C12H17BrN2O — CID 61243008

IUPAC[4-(4-bromoanilino)piperidin-4-yl]methanol
SMILESOCC1(Nc2ccc(Br)cc2)CCNCC1
InChIInChI=1S/C12H17BrN2O/c13-10-1-3-11(4-2-10)15-12(9-16)5-7-14-8-6-12/h1-4,14-16H,5-9H2
InChIKeySGRQTDRTVYHZGR-UHFFFAOYSA-N
MW285.18 g/mol
LogP1.98
Rot. Bonds3

About [4-(4-bromoanilino)piperidin-4-yl]methanol

[4-(4-bromoanilino)piperidin-4-yl]methanol (PubChem CID 61243008) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is [4-(4-bromoanilino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(4-bromoanilino)piperidin-4-yl]methanol
PubChem CID61243008
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name[4-(4-bromoanilino)piperidin-4-yl]methanol
SMILESOCC1(Nc2ccc(Br)cc2)CCNCC1
InChIInChI=1S/C12H17BrN2O/c13-10-1-3-11(4-2-10)15-12(9-16)5-7-14-8-6-12/h1-4,14-16H,5-9H2
InChIKeySGRQTDRTVYHZGR-UHFFFAOYSA-N
XLogP1.98
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromoanilino)piperidin-4-yl]methanol?
The IUPAC name of [4-(4-bromoanilino)piperidin-4-yl]methanol (CID 61243008) is [4-(4-bromoanilino)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(4-bromoanilino)piperidin-4-yl]methanol?
The canonical SMILES for [4-(4-bromoanilino)piperidin-4-yl]methanol is OCC1(Nc2ccc(Br)cc2)CCNCC1.
What is the InChIKey of [4-(4-bromoanilino)piperidin-4-yl]methanol?
The InChIKey is SGRQTDRTVYHZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-10-1-3-11(4-2-10)15-12(9-16)5-7-14-8-6-12/h1-4,14-16H,5-9H2.
What are the key properties of [4-(4-bromoanilino)piperidin-4-yl]methanol?
[4-(4-bromoanilino)piperidin-4-yl]methanol has a molecular weight of 285.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromoanilino)piperidin-4-yl]methanol is sourced from PubChem (CID 61243008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).