[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol

C13H26N2O — CID 103069109

IUPAC[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol
SMILESC=C(CNC(C)C)CN1CCC(CO)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-12(3)9-15-6-4-13(10-16)5-7-15/h11,13-14,16H,3-10H2,1-2H3
InChIKeyNZEBFYLYPZFXQL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.24
Rot. Bonds6

About [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol

[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol (PubChem CID 103069109) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol
PubChem CID103069109
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol
SMILESC=C(CNC(C)C)CN1CCC(CO)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-12(3)9-15-6-4-13(10-16)5-7-15/h11,13-14,16H,3-10H2,1-2H3
InChIKeyNZEBFYLYPZFXQL-UHFFFAOYSA-N
XLogP1.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.24
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

2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070719
2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103069327
2-[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-yl]ethanol
CID 103071403
2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068857
N-propan-2-yl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071247
2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103068829
2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068808
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070395
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070890
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070382
N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 63849110
[1-(2-chloroprop-2-enyl)azepan-4-yl]methanol
CID 130758179

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol (CID 103069109) is [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol is C=C(CNC(C)C)CN1CCC(CO)CC1.
What is the InChIKey of [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol?
The InChIKey is NZEBFYLYPZFXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-8-12(3)9-15-6-4-13(10-16)5-7-15/h11,13-14,16H,3-10H2,1-2H3.
What are the key properties of [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol?
[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol is sourced from PubChem (CID 103069109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).