[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol

C14H28N2O2 — CID 61047764

IUPAC[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol
SMILESCC(C)N1CCC(CO)(NCC2CCCO2)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)16-7-5-14(11-17,6-8-16)15-10-13-4-3-9-18-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyLQZUZSAIVOSFGL-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.99
Rot. Bonds5

About [4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol

[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol (PubChem CID 61047764) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol
PubChem CID61047764
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol
SMILESCC(C)N1CCC(CO)(NCC2CCCO2)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)16-7-5-14(11-17,6-8-16)15-10-13-4-3-9-18-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyLQZUZSAIVOSFGL-UHFFFAOYSA-N
XLogP0.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 65378603
[1-benzyl-3-(oxolan-2-ylmethylamino)pyrrolidin-3-yl]methanol
CID 61049771
1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65376736
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
1-(aminomethyl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65377148
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine
CID 65378386
2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63163669
[1-(oxolan-2-ylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
CID 82856515
1-(oxolan-2-ylmethylamino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088729
1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168185
1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 107429090
4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 65384386

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol?
The IUPAC name of [4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol (CID 61047764) is [4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol is CC(C)N1CCC(CO)(NCC2CCCO2)CC1.
What is the InChIKey of [4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol?
The InChIKey is LQZUZSAIVOSFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)16-7-5-14(11-17,6-8-16)15-10-13-4-3-9-18-13/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of [4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol?
[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol is sourced from PubChem (CID 61047764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).