[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine

C18H30N2O — CID 114592329

IUPAC[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine
SMILESCC1CC(C)C(C)N(CCCOc2ccc(CN)cc2)C1
InChIInChI=1S/C18H30N2O/c1-14-11-15(2)16(3)20(13-14)9-4-10-21-18-7-5-17(12-19)6-8-18/h5-8,14-16H,4,9-13,19H2,1-3H3
InChIKeySRMRVASMJZYMHS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.28
Rot. Bonds6

About [4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine

[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine (PubChem CID 114592329) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is [4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine
PubChem CID114592329
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine
SMILESCC1CC(C)C(C)N(CCCOc2ccc(CN)cc2)C1
InChIInChI=1S/C18H30N2O/c1-14-11-15(2)16(3)20(13-14)9-4-10-21-18-7-5-17(12-19)6-8-18/h5-8,14-16H,4,9-13,19H2,1-3H3
InChIKeySRMRVASMJZYMHS-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-(4-(1-Piperidinylmethyl)phenoxy)propyl)piperidine
CID 2766326
(4-Ethoxyphenyl)methanamine
CID 808423
[2-(4-Isopropyl-2,2-dimethyl-tetrahydro-pyran-4-yl)-ethyl]-(4-methoxy-benzyl)-amine
CID 3333309
1-(4-Butoxyphenyl)ethanamine
CID 56263
T-2307 free base
CID 9803135
Ucl-2138
CID 2994072
1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
CID 44592097
4-(3-{4-[(R)-Amino(Cyclopentyl)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 71777747
1-Benzyl-4-(4-methoxybenzyl)piperazine
CID 762919
Dimethyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
CID 9835304
N-methyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]butan-1-amine
CID 9836681
4-(4-((1-Isopropylpiperidin-4-yl)oxy)benzyl)morpholine
CID 9858195

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine?
The IUPAC name of [4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine (CID 114592329) is [4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine is CC1CC(C)C(C)N(CCCOc2ccc(CN)cc2)C1.
What is the InChIKey of [4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine?
The InChIKey is SRMRVASMJZYMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-11-15(2)16(3)20(13-14)9-4-10-21-18-7-5-17(12-19)6-8-18/h5-8,14-16H,4,9-13,19H2,1-3H3.
What are the key properties of [4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine?
[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine has a molecular weight of 290.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 114592329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).