3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine

C15H30N2O — CID 62386835

IUPAC3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
SMILESCC1CCN(CCCNCC2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-14-3-9-17(10-4-14)8-2-7-16-13-15-5-11-18-12-6-15/h14-16H,2-13H2,1H3
InChIKeyKLMPVVLZNFPOGC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds6

About 3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine

3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine (PubChem CID 62386835) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
PubChem CID62386835
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
SMILESCC1CCN(CCCNCC2CCOCC2)CC1
InChIInChI=1S/C15H30N2O/c1-14-3-9-17(10-4-14)8-2-7-16-13-15-5-11-18-12-6-15/h14-16H,2-13H2,1H3
InChIKeyKLMPVVLZNFPOGC-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113219606
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 62069634
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667466
N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70939760
2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938726
1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 62386509
2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol
CID 81413621
N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine
CID 107412308
5-(oxan-4-ylmethylamino)pentan-1-ol
CID 63711155
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
CID 115685550

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine (CID 62386835) is 3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine is CC1CCN(CCCNCC2CCOCC2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine?
The InChIKey is KLMPVVLZNFPOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14-3-9-17(10-4-14)8-2-7-16-13-15-5-11-18-12-6-15/h14-16H,2-13H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine?
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 62386835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).