N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine

C14H24N2O — CID 63727151

IUPACN-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C14H24N2O/c1-2-7-16-8-3-14(4-9-16)15-12-13-5-10-17-11-6-13/h1,13-15H,3-12H2
InChIKeyOCFNITIJVJSHLM-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.10
Rot. Bonds4

About N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine

N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 63727151) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID63727151
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C14H24N2O/c1-2-7-16-8-3-14(4-9-16)15-12-13-5-10-17-11-6-13/h1,13-15H,3-12H2
InChIKeyOCFNITIJVJSHLM-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 62386509
N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine
CID 120841561
1-morpholin-4-yl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propan-1-one
CID 115713495
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
4-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide
CID 62386039
2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid
CID 43774231
N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine
CID 43765302
N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 60855683
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-prop-2-ynylpiperidin-4-amine
CID 79083004

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine (CID 63727151) is N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCC2CCOCC2)CC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is OCFNITIJVJSHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-7-16-8-3-14(4-9-16)15-12-13-5-10-17-11-6-13/h1,13-15H,3-12H2.
What are the key properties of N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine?
N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 63727151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).