(4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine

C13H23N3 — CID 63176602

IUPAC(4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine
SMILES[H]/N=C(\C1CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H23N3/c14-13(11-5-6-11)16-9-7-15(8-10-16)12-3-1-2-4-12/h11-12,14H,1-10H2/b14-13+
InChIKeyFKZADQPGQGBDHF-BUHFOSPRSA-N
MW221.35 g/mol
LogP1.93
Rot. Bonds2

About (4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine

(4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine (PubChem CID 63176602) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine
PubChem CID63176602
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine
SMILES[H]/N=C(\C1CC1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H23N3/c14-13(11-5-6-11)16-9-7-15(8-10-16)12-3-1-2-4-12/h11-12,14H,1-10H2/b14-13+
InChIKeyFKZADQPGQGBDHF-BUHFOSPRSA-N
XLogP1.93
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl(piperidin-1-yl)methanimine
CID 64985801
cyclopentyl(1,2,5-dithiazepan-5-yl)methanimine
CID 130616752
cyclobutyl-(4-methylpiperazin-1-yl)methanimine
CID 64985856
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
(4-tert-butylpiperazin-1-yl)-cyclopropylmethanimine
CID 63177587
cyclopropyl(1,4-oxazepan-4-yl)methanimine
CID 63181568
cyclopropyl-(1,1-dioxo-1,4-thiazinan-4-yl)methanimine
CID 63175916
3-azaspiro[5.5]undecan-3-yl(cyclopentyl)methanimine
CID 55159975
cyclopentyl-(4-methylazepan-1-yl)methanimine
CID 63625841
cyclopentyl(1,4-oxazepan-4-yl)methanimine
CID 63181570
(4-cyclohexylpiperazin-1-yl)-(4-methylphenyl)methanimine
CID 91292746
cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanimine
CID 63181565

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine (CID 63176602) is (4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine is [H]/N=C(\C1CC1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine?
The InChIKey is FKZADQPGQGBDHF-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H23N3/c14-13(11-5-6-11)16-9-7-15(8-10-16)12-3-1-2-4-12/h11-12,14H,1-10H2/b14-13+.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine?
(4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine has a molecular weight of 221.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-cyclopropylmethanimine is sourced from PubChem (CID 63176602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).