[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol

C15H23ClN2O — CID 61049744

IUPAC[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol
SMILESCCCN1CCC(CO)(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-8-18-9-6-15(12-19,7-10-18)17-14-5-3-4-13(16)11-14/h3-5,11,17,19H,2,6-10,12H2,1H3
InChIKeyKWEIFRSRUJASKO-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.99
Rot. Bonds5

About [4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol

[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol (PubChem CID 61049744) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is [4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol
PubChem CID61049744
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol
SMILESCCCN1CCC(CO)(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-8-18-9-6-15(12-19,7-10-18)17-14-5-3-4-13(16)11-14/h3-5,11,17,19H,2,6-10,12H2,1H3
InChIKeyKWEIFRSRUJASKO-UHFFFAOYSA-N
XLogP2.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylanilino)-1-propylazepan-4-yl]methanol
CID 65076521
[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436
[1-(3-chloroanilino)cyclohexyl]methanol
CID 61050342
[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
CID 63428476
[4-(3-chloroanilino)piperidin-4-yl]methanol
CID 61242648
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
CID 62575733
4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine
CID 65377742
4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid
CID 60992852
4-[(3-chlorophenyl)methyl]-1-propylazepan-4-ol
CID 65077956
[4-(propan-2-ylamino)-1-propylpiperidin-4-yl]methanol
CID 61049791
4-(3-methylanilino)-1-propylazepane-4-carboxylic acid
CID 65075650
N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 91839342

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol?
The IUPAC name of [4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol (CID 61049744) is [4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol is CCCN1CCC(CO)(Nc2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol?
The InChIKey is KWEIFRSRUJASKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-8-18-9-6-15(12-19,7-10-18)17-14-5-3-4-13(16)11-14/h3-5,11,17,19H,2,6-10,12H2,1H3.
What are the key properties of [4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol?
[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol has a molecular weight of 282.81 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol is sourced from PubChem (CID 61049744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).