4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine

C15H31N3O — CID 61434002

IUPAC4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCCN1CCC(CN)(N(CC)CC2CCCO2)CC1
InChIInChI=1S/C15H31N3O/c1-3-17-9-7-15(13-16,8-10-17)18(4-2)12-14-6-5-11-19-14/h14H,3-13,16H2,1-2H3
InChIKeyIPFUHQSYSLAQIY-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.30
Rot. Bonds6

About 4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine

4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine (PubChem CID 61434002) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
PubChem CID61434002
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESCCN1CCC(CN)(N(CC)CC2CCCO2)CC1
InChIInChI=1S/C15H31N3O/c1-3-17-9-7-15(13-16,8-10-17)18(4-2)12-14-6-5-11-19-14/h14H,3-13,16H2,1-2H3
InChIKeyIPFUHQSYSLAQIY-UHFFFAOYSA-N
XLogP1.30
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433810
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62703920
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65085089
1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 103562711
1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 62007723
1-(aminomethyl)-N-ethyl-N-[2-(oxolan-2-yl)ethyl]cyclopentan-1-amine
CID 65158368
1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79171980
1-(aminomethyl)-N-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65158370
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1-propylpiperidin-4-amine
CID 63955749
3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine
CID 114080121
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-methylazepan-4-amine
CID 107397807
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
CID 65075624

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine (CID 61434002) is 4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine is CCN1CCC(CN)(N(CC)CC2CCCO2)CC1.
What is the InChIKey of 4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
The InChIKey is IPFUHQSYSLAQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-17-9-7-15(13-16,8-10-17)18(4-2)12-14-6-5-11-19-14/h14H,3-13,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine?
4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine has a molecular weight of 269.43 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 61434002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).