[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol

C19H30ClN3O — CID 131939705

IUPAC[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNC1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H30ClN3O/c20-18-6-1-2-7-19(18)23-12-8-16(9-13-23)21-10-14-22-11-4-3-5-17(22)15-24/h1-2,6-7,16-17,21,24H,3-5,8-15H2
InChIKeyPVQSZBMDBJJWHW-UHFFFAOYSA-N
MW351.92 g/mol
LogP2.75
Rot. Bonds6

About [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol

[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol (PubChem CID 131939705) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
PubChem CID131939705
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC Name[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1CCNC1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H30ClN3O/c20-18-6-1-2-7-19(18)23-12-8-16(9-13-23)21-10-14-22-11-4-3-5-17(22)15-24/h1-2,6-7,16-17,21,24H,3-5,8-15H2
InChIKeyPVQSZBMDBJJWHW-UHFFFAOYSA-N
XLogP2.75
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide
CID 126449328
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
CID 124749478
[1-[3-(2-chlorophenyl)-3-(methylamino)propyl]azepan-2-yl]methanol
CID 116638092
[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol
CID 111114732
1-(3-chloro-2-fluorophenyl)-3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118774897
3-[[1-(2-chlorophenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004291
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 62629485
8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide
CID 74250935
[1-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]piperidin-2-yl]methanol
CID 131930656
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol
CID 66395265
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol (CID 131939705) is [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol is OCC1CCCCN1CCNC1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The InChIKey is PVQSZBMDBJJWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O/c20-18-6-1-2-7-19(18)23-12-8-16(9-13-23)21-10-14-22-11-4-3-5-17(22)15-24/h1-2,6-7,16-17,21,24H,3-5,8-15H2.
What are the key properties of [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol has a molecular weight of 351.92 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 131939705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).