N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine

C14H30N2 — CID 79715856

IUPACN-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine
SMILESCCC(CC)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C14H30N2/c1-5-14(6-2)16(12(3)4)11-13-7-9-15-10-8-13/h12-15H,5-11H2,1-4H3
InChIKeyCFACZJNISDJBCD-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds6

About N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine

N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine (PubChem CID 79715856) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine
PubChem CID79715856
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine
SMILESCCC(CC)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C14H30N2/c1-5-14(6-2)16(12(3)4)11-13-7-9-15-10-8-13/h12-15H,5-11H2,1-4H3
InChIKeyCFACZJNISDJBCD-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
ethyl 2-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79714662
N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine
CID 79714489
1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 79715208
ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79715051
2-ethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 79716141
N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine
CID 79716038
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 55002492
N,2-dimethyl-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 79707694
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine (CID 79715856) is N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine is CCC(CC)N(CC1CCNCC1)C(C)C.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine?
The InChIKey is CFACZJNISDJBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14(6-2)16(12(3)4)11-13-7-9-15-10-8-13/h12-15H,5-11H2,1-4H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine?
N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine is sourced from PubChem (CID 79715856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).