2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine

C14H30N4 — CID 117239139

IUPAC2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
SMILESCCN1CCC(C(CN)CN2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-2-17-7-3-13(4-8-17)14(11-15)12-18-9-5-16-6-10-18/h13-14,16H,2-12,15H2,1H3
InChIKeyKDDACQDOVRYPCQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.20
Rot. Bonds5

About 2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine

2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 117239139) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
PubChem CID117239139
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
SMILESCCN1CCC(C(CN)CN2CCNCC2)CC1
InChIInChI=1S/C14H30N4/c1-2-17-7-3-13(4-8-17)14(11-15)12-18-9-5-16-6-10-18/h13-14,16H,2-12,15H2,1H3
InChIKeyKDDACQDOVRYPCQ-UHFFFAOYSA-N
XLogP0.20
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine
CID 117239088
2-cyclobutyl-3-piperidin-1-ylpropan-1-amine
CID 117245614
2-(1-ethylpiperidin-4-yl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 117239159
1-ethylpiperazine;methanethioamide
CID 175299893
1-ethylpiperazine;methane;N-methylmethanamine
CID 68903737
1-ethylpiperazine;1-propan-2-ylpiperazine
CID 70370755
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine
CID 117237666
2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine
CID 117237209
1-(2-cycloheptylpropyl)piperazine
CID 82509737
(2R)-4-ethyl-2-piperidin-4-ylhexan-1-amine
CID 95241788
2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
CID 117239412
1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 86262794

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine (CID 117239139) is 2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine is CCN1CCC(C(CN)CN2CCNCC2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is KDDACQDOVRYPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-2-17-7-3-13(4-8-17)14(11-15)12-18-9-5-16-6-10-18/h13-14,16H,2-12,15H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine?
2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 117239139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).