N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine

C14H26N2O — CID 115306885

IUPACN-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine
SMILESC1COCC(N2CCC(NCC3CC3)CC2)C1
InChIInChI=1S/C14H26N2O/c1-2-14(11-17-9-1)16-7-5-13(6-8-16)15-10-12-3-4-12/h12-15H,1-11H2
InChIKeyIRKDHIJGEXTJNF-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine

N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine (PubChem CID 115306885) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine
PubChem CID115306885
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine
SMILESC1COCC(N2CCC(NCC3CC3)CC2)C1
InChIInChI=1S/C14H26N2O/c1-2-14(11-17-9-1)16-7-5-13(6-8-16)15-10-12-3-4-12/h12-15H,1-11H2
InChIKeyIRKDHIJGEXTJNF-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]oxan-3-amine
CID 131906608
4-methyl-1-[(3R)-oxan-3-yl]piperidine
CID 126716470
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
N-(cyclopropylmethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 78921372
N-[(1-cyclopropylpiperidin-4-yl)methyl]cyclopropanamine
CID 83907747
N-(cyclopropylmethyl)-1-(3-propan-2-ylcyclohexyl)piperidin-4-amine
CID 107449560
N-(cyclopropylmethyl)-1-(4-propylcycloheptyl)piperidin-4-amine
CID 115306940
1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine
CID 120841561
8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 103738480
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine (CID 115306885) is N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine is C1COCC(N2CCC(NCC3CC3)CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine?
The InChIKey is IRKDHIJGEXTJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-14(11-17-9-1)16-7-5-13(6-8-16)15-10-12-3-4-12/h12-15H,1-11H2.
What are the key properties of N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine?
N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine has a molecular weight of 238.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine is sourced from PubChem (CID 115306885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).