1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol

C16H32N2O — CID 106837794

IUPAC1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
SMILESCC1CCCC(CN)(CN2CCC(C(C)O)CC2)C1
InChIInChI=1S/C16H32N2O/c1-13-4-3-7-16(10-13,11-17)12-18-8-5-15(6-9-18)14(2)19/h13-15,19H,3-12,17H2,1-2H3
InChIKeyDDULOZXFCLVRPD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.23
Rot. Bonds4

About 1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol

1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol (PubChem CID 106837794) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
PubChem CID106837794
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
SMILESCC1CCCC(CN)(CN2CCC(C(C)O)CC2)C1
InChIInChI=1S/C16H32N2O/c1-13-4-3-7-16(10-13,11-17)12-18-8-5-15(6-9-18)14(2)19/h13-15,19H,3-12,17H2,1-2H3
InChIKeyDDULOZXFCLVRPD-UHFFFAOYSA-N
XLogP2.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol with MolForge

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Related Compounds

1-[1-[[1-(aminomethyl)cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837787
1-[1-[[1-(sulfanylmethyl)cycloheptyl]methyl]piperidin-4-yl]ethanol
CID 106839754
1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837816
[1-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 103497578
1-[1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
CID 106837777
[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967160
1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol
CID 106837476
2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 45260252
1-[1-[[1-(sulfanylmethyl)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629475
[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol
CID 103539249
4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol
CID 113499916
(1-hexyl-3-methylcyclohexyl)methanamine
CID 65394877

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol (CID 106837794) is 1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol is CC1CCCC(CN)(CN2CCC(C(C)O)CC2)C1.
What is the InChIKey of 1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol?
The InChIKey is DDULOZXFCLVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-4-3-7-16(10-13,11-17)12-18-8-5-15(6-9-18)14(2)19/h13-15,19H,3-12,17H2,1-2H3.
What are the key properties of 1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol?
1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol has a molecular weight of 268.44 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106837794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).