1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde

C15H28N2O — CID 62276780

IUPAC1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCC(C)N1CCN(CC2(C=O)CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-14(2)17-10-8-16(9-11-17)12-15(13-18)6-4-3-5-7-15/h13-14H,3-12H2,1-2H3
InChIKeyVUNPIRZGCCSCHJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.16
Rot. Bonds4

About 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde

1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde (PubChem CID 62276780) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde
PubChem CID62276780
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde
SMILESCC(C)N1CCN(CC2(C=O)CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-14(2)17-10-8-16(9-11-17)12-15(13-18)6-4-3-5-7-15/h13-14H,3-12H2,1-2H3
InChIKeyVUNPIRZGCCSCHJ-UHFFFAOYSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-propan-2-ylpiperazin-1-yl)methyl]oxane-4-carbaldehyde
CID 62392495
1-[(4-propylpiperazin-1-yl)methyl]cyclopentane-1-carbaldehyde
CID 62278265
1-(pyrrolidin-1-ylmethyl)cyclobutane-1-carbaldehyde
CID 143181443
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol
CID 131701690
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 107459312
1-[(4-methoxypiperidin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276005
1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carbaldehyde
CID 62278259
N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine
CID 62257004
1-[(2-methylmorpholin-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276743
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine
CID 83074639
4-(pyrrolidin-1-ylmethyl)oxane-4-carbaldehyde
CID 62391613
1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde
CID 82691382

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde (CID 62276780) is 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde is CC(C)N1CCN(CC2(C=O)CCCCC2)CC1.
What is the InChIKey of 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is VUNPIRZGCCSCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(2)17-10-8-16(9-11-17)12-15(13-18)6-4-3-5-7-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde?
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 252.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62276780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).