4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol

C15H24N2O2 — CID 95470994

IUPAC4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol
SMILESCC(C)Oc1ccc(NCC2(O)CCNCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)19-14-5-3-13(4-6-14)17-11-15(18)7-9-16-10-8-15/h3-6,12,16-18H,7-11H2,1-2H3
InChIKeyUOEQDYFJIMVVSY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.00
Rot. Bonds5

About 4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol

4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol (PubChem CID 95470994) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol
PubChem CID95470994
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol
SMILESCC(C)Oc1ccc(NCC2(O)CCNCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)19-14-5-3-13(4-6-14)17-11-15(18)7-9-16-10-8-15/h3-6,12,16-18H,7-11H2,1-2H3
InChIKeyUOEQDYFJIMVVSY-UHFFFAOYSA-N
XLogP2.00
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(anilinomethyl)piperidin-4-ol
CID 56773843
3-[(4-methoxyanilino)methyl]pyrrolidin-3-ol
CID 105479226
4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol
CID 18002840
4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 18002858
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
4-[2-[4-hydroxy-4-[2-(4-propan-2-yloxyanilino)ethyl]piperidin-1-yl]ethyl]benzonitrile;dihydrochloride
CID 18002904
2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 119401538
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea
CID 111104008

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol?
The IUPAC name of 4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol (CID 95470994) is 4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol is CC(C)Oc1ccc(NCC2(O)CCNCC2)cc1.
What is the InChIKey of 4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol?
The InChIKey is UOEQDYFJIMVVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)19-14-5-3-13(4-6-14)17-11-15(18)7-9-16-10-8-15/h3-6,12,16-18H,7-11H2,1-2H3.
What are the key properties of 4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol?
4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol has a molecular weight of 264.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol is sourced from PubChem (CID 95470994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).