N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine

C13H26N2O — CID 742865

IUPACN-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H26N2O/c1-2-7-15-8-5-12(6-9-15)14-11-13-4-3-10-16-13/h12-14H,2-11H2,1H3/t13-/m0/s1
InChIKeyXIBIFYYATXSUCM-ZDUSSCGKSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine

N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine (PubChem CID 742865) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
PubChem CID742865
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H26N2O/c1-2-7-15-8-5-12(6-9-15)14-11-13-4-3-10-16-13/h12-14H,2-11H2,1H3/t13-/m0/s1
InChIKeyXIBIFYYATXSUCM-ZDUSSCGKSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 60694440
N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30982606
N-ethyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159145
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
1-ethyl-N-(oxolan-2-ylmethyl)piperidin-3-amine
CID 82836663
2,2-dimethyl-1-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 79032608
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine
CID 65378386
1-ethyl-3-(oxolan-2-ylmethyl)-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111136824
N-(1,4-dioxan-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 61025093
3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol
CID 106120879
(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
CID 97358325
3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113219606

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine (CID 742865) is N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine is CCCN1CCC(NC[C@@H]2CCCO2)CC1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine?
The InChIKey is XIBIFYYATXSUCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-7-15-8-5-12(6-9-15)14-11-13-4-3-10-16-13/h12-14H,2-11H2,1H3/t13-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine?
N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 742865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).