3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

C14H28N2O — CID 113219606

IUPAC3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC1CCN(CCCNCC2CCCO2)CC1
InChIInChI=1S/C14H28N2O/c1-13-5-9-16(10-6-13)8-3-7-15-12-14-4-2-11-17-14/h13-15H,2-12H2,1H3
InChIKeyTUFCNMXABOHJBD-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds6

About 3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine

3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 113219606) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID113219606
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC1CCN(CCCNCC2CCCO2)CC1
InChIInChI=1S/C14H28N2O/c1-13-5-9-16(10-6-13)8-3-7-15-12-14-4-2-11-17-14/h13-15H,2-12H2,1H3
InChIKeyTUFCNMXABOHJBD-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
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-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386835
3-(2-methylpiperidin-1-yl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403752
2-(4-tert-butylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 62557540
1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-(oxolan-2-ylmethyl)guanidine
CID 111136515
N-(1,3-dioxan-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 81100973
1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136514
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62557461
N-(1,4-dioxan-2-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 61494260
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 113219606) is 3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine is CC1CCN(CCCNCC2CCCO2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is TUFCNMXABOHJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13-5-9-16(10-6-13)8-3-7-15-12-14-4-2-11-17-14/h13-15H,2-12H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine?
3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 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-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 113219606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).