4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine

C14H29N3O — CID 65378603

IUPAC4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(CN)(NCC2CCCO2)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)17-7-5-14(11-15,6-8-17)16-10-13-4-3-9-18-13/h12-13,16H,3-11,15H2,1-2H3
InChIKeyVOWABWIKRBDDQX-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.96
Rot. Bonds5

About 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine

4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 65378603) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID65378603
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(CN)(NCC2CCCO2)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)17-7-5-14(11-15,6-8-17)16-10-13-4-3-9-18-13/h12-13,16H,3-11,15H2,1-2H3
InChIKeyVOWABWIKRBDDQX-UHFFFAOYSA-N
XLogP0.96
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(oxolan-2-ylmethylamino)-1-propan-2-ylpiperidin-4-yl]methanol
CID 61047764
1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65376736
1-(aminomethyl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65377148
4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 65384386
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine
CID 65378386
1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 107429090
[2-[[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]amino]cyclopentyl]methanol
CID 106359944
3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine
CID 65377567
2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63163669
1-(chloromethyl)-3-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65030300
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65377356

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine (CID 65378603) is 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(CN)(NCC2CCCO2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is VOWABWIKRBDDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)17-7-5-14(11-15,6-8-17)16-10-13-4-3-9-18-13/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine?
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 255.41 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 65378603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).