[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol

C19H28N2O — CID 110011353

IUPAC[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccccc2NCC2CC=CCC2)CC1
InChIInChI=1S/C19H28N2O/c22-15-17-10-12-21(13-11-17)19-9-5-4-8-18(19)20-14-16-6-2-1-3-7-16/h1-2,4-5,8-9,16-17,20,22H,3,6-7,10-15H2
InChIKeyWKXBNFNRYGUREF-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.66
Rot. Bonds5

About [1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol

[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol (PubChem CID 110011353) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol
PubChem CID110011353
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccccc2NCC2CC=CCC2)CC1
InChIInChI=1S/C19H28N2O/c22-15-17-10-12-21(13-11-17)19-9-5-4-8-18(19)20-14-16-6-2-1-3-7-16/h1-2,4-5,8-9,16-17,20,22H,3,6-7,10-15H2
InChIKeyWKXBNFNRYGUREF-UHFFFAOYSA-N
XLogP3.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 126803823
N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline
CID 43673439
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline
CID 43683283
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75513043
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75473179
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide
CID 166414486
[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 110011361
2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline
CID 62385049
N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline
CID 43677789
2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide
CID 43692145

Frequently Asked Questions

What is the IUPAC name of [1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol (CID 110011353) is [1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol is OCC1CCN(c2ccccc2NCC2CC=CCC2)CC1.
What is the InChIKey of [1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol?
The InChIKey is WKXBNFNRYGUREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c22-15-17-10-12-21(13-11-17)19-9-5-4-8-18(19)20-14-16-6-2-1-3-7-16/h1-2,4-5,8-9,16-17,20,22H,3,6-7,10-15H2.
What are the key properties of [1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol?
[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol has a molecular weight of 300.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 110011353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).