4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine

C21H35ClN2O — CID 143751446

IUPAC4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine
SMILESC=O.CC1(N)CCCC1.CN1CCC(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C14H20ClN.C6H13N.CH2O/c1-14(2)10-16(3)9-8-13(14)11-4-6-12(15)7-5-11;1-6(7)4-2-3-5-6;1-2/h4-7,13H,8-10H2,1-3H3;2-5,7H2,1H3;1H2
InChIKeyDVAFTTDRZTZECO-UHFFFAOYSA-N
MW366.98 g/mol
LogP4.88
Rot. Bonds1

About 4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine

4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine (PubChem CID 143751446) has the molecular formula C21H35ClN2O and a molecular weight of 366.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine
PubChem CID143751446
Molecular FormulaC21H35ClN2O
Molecular Weight366.98 g/mol
Exact Mass366.24
IUPAC Name4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine
SMILESC=O.CC1(N)CCCC1.CN1CCC(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C14H20ClN.C6H13N.CH2O/c1-14(2)10-16(3)9-8-13(14)11-4-6-12(15)7-5-11;1-6(7)4-2-3-5-6;1-2/h4-7,13H,8-10H2,1-3H3;2-5,7H2,1H3;1H2
InChIKeyDVAFTTDRZTZECO-UHFFFAOYSA-N
XLogP4.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.98
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine (CID 143751446) is 4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine is C=O.CC1(N)CCCC1.CN1CCC(c2ccc(Cl)cc2)C(C)(C)C1.
What is the InChIKey of 4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine?
The InChIKey is DVAFTTDRZTZECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN.C6H13N.CH2O/c1-14(2)10-16(3)9-8-13(14)11-4-6-12(15)7-5-11;1-6(7)4-2-3-5-6;1-2/h4-7,13H,8-10H2,1-3H3;2-5,7H2,1H3;1H2.
What are the key properties of 4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine?
4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine has a molecular weight of 366.98 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,3,3-trimethylpiperidine;formaldehyde;1-methylcyclopentan-1-amine is sourced from PubChem (CID 143751446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).